4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline

C70H48N8 — CID 88592188

IUPAC4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline
SMILESc1ccc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)nc3cc2-c2ccccc2)cc1
InChIInChI=1S/C70H48N8/c1-5-17-49(18-6-1)61-45-63-64(46-62(61)50-19-7-2-8-20-50)74-70(54-33-41-60(42-34-54)78(56-23-11-4-12-24-56)58-37-29-52(30-38-58)66-48-76-44-16-14-26-68(76)72-66)69(73-63)53-31-39-59(40-32-53)77(55-21-9-3-10-22-55)57-35-27-51(28-36-57)65-47-75-43-15-13-25-67(75)71-65/h1-48H
InChIKeyLBBROXKHWFTOPM-UHFFFAOYSA-N
MW1001.21 g/mol
LogP17.87
Rot. Bonds12

About 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline

4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline (PubChem CID 88592188) has the molecular formula C70H48N8 and a molecular weight of 1001.21 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline
PubChem CID88592188
Molecular FormulaC70H48N8
Molecular Weight1001.21 g/mol
Exact Mass1000.40
IUPAC Name4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline
SMILESc1ccc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)nc3cc2-c2ccccc2)cc1
InChIInChI=1S/C70H48N8/c1-5-17-49(18-6-1)61-45-63-64(46-62(61)50-19-7-2-8-20-50)74-70(54-33-41-60(42-34-54)78(56-23-11-4-12-24-56)58-37-29-52(30-38-58)66-48-76-44-16-14-26-68(76)72-66)69(73-63)53-31-39-59(40-32-53)77(55-21-9-3-10-22-55)57-35-27-51(28-36-57)65-47-75-43-15-13-25-67(75)71-65/h1-48H
InChIKeyLBBROXKHWFTOPM-UHFFFAOYSA-N
XLogP17.87
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.21
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline?
The IUPAC name of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline (CID 88592188) is 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline is c1ccc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)nc3cc2-c2ccccc2)cc1.
What is the InChIKey of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline?
The InChIKey is LBBROXKHWFTOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N8/c1-5-17-49(18-6-1)61-45-63-64(46-62(61)50-19-7-2-8-20-50)74-70(54-33-41-60(42-34-54)78(56-23-11-4-12-24-56)58-37-29-52(30-38-58)66-48-76-44-16-14-26-68(76)72-66)69(73-63)53-31-39-59(40-32-53)77(55-21-9-3-10-22-55)57-35-27-51(28-36-57)65-47-75-43-15-13-25-67(75)71-65/h1-48H.
What are the key properties of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline?
4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline has a molecular weight of 1001.21 g/mol, XLogP of 17.87, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-diphenylquinoxalin-2-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 88592188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).